./iterations/neb0_image03_iter43.sci output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
finished
#MD System 2.0
@Title neb0_image03
@Columns AsymmetricAtom
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Connections string {{}}
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6 {} {0.361900333254 0.556201544952 0.41321119423} C1 1 1
14 {} {0.338543312634 0.529748369438 0.523870983949} Si1 2 1
14 {} {0.423485546649 0.566800078624 0.409030928741} Si2 3 1
8 {} {0.35182087996 0.58648723329 0.599908213444} O1 4 1
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8 {} {0.436511577787 0.6183385552 0.326061524775} O4 9 1
14 {} {0.233223107241 0.532659514096 0.558171600458} Si3 10 1
7 {} {0.213701212161 0.454546391988 0.592284400154} N1 11 1
14 {} {0.191206931633 0.446193020391 0.699742368703} Si4 12 1
14 {} {0.214134531004 0.386798998946 0.517138159356} Si5 13 1
7 {} {0.208068551675 0.407861156667 0.406691744717} N2 14 1
7 {} {0.140786115056 0.485214959885 0.720036183977} N3 15 1
1 {} {0.351955631613 0.520435946062 0.360869098468} H1 16 1
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1 {} {0.444965482134 0.461965152303 0.331366097911} H8 23 1
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1 {} {0.257390358667 0.350121417744 0.523027806941} H16 31 1
1 {} {0.176499976503 0.342289932617 0.543884062272} H17 32 1
1 {} {0.235069131128 0.422646691685 0.370800708705} H18 33 1
1 {} {0.180090547415 0.431429321522 0.38468208262} H19 34 1
1 {} {0.1399813818 0.534834427729 0.734911991007} H20 35 1
1 {} {0.112733250038 0.471377035425 0.686578540831} H21 36 1
6 {} {0.629066778336 0.636357561154 0.349688923429} C4 37 1
14 {} {0.58592729976 0.574046580607 0.387164761917} Si6 38 1
14 {} {0.62333067164 0.724866777317 0.386232659008} Si7 39 1
8 {} {0.536087144946 0.611029279443 0.381682589043} O5 40 1
8 {} {0.586307136787 0.509502845875 0.319988901585} O6 41 1
6 {} {0.596681083804 0.542009616735 0.502076801905} C5 42 1
6 {} {0.641377819035 0.741817076084 0.503462327863} C6 43 1
8 {} {0.568453350269 0.739708145405 0.374862098228} O7 44 1
8 {} {0.650995785341 0.774213916036 0.316305287717} O8 45 1
14 {} {0.580107838215 0.449031478131 0.24719924909} Si8 46 1
7 {} {0.592682622531 0.37089280809 0.290263575731} N4 47 1
14 {} {0.549081081408 0.314551139086 0.313585353815} Si9 48 1
14 {} {0.647250578934 0.345610248969 0.315401718817} Si10 49 1
7 {} {0.688227252253 0.39185119066 0.26415936816} N5 50 1
7 {} {0.525213145912 0.271489159774 0.226446780095} N6 51 1
1 {} {0.662496460839 0.618075254219 0.368262110561} H22 52 1
1 {} {0.628119393728 0.637128627075 0.276055132935} H23 53 1
1 {} {0.539116905297 0.660087241023 0.377333512012} H24 54 1
1 {} {0.628756429322 0.515357100881 0.505131532419} H25 55 1
1 {} {0.570492816035 0.506581473673 0.522290068345} H26 56 1
1 {} {0.597538290421 0.582592322734 0.551615108934} H27 57 1
1 {} {0.636120724222 0.794596893695 0.521660868465} H28 58 1
1 {} {0.676958055528 0.730373873265 0.512869025705} H29 59 1
1 {} {0.622357509388 0.711260439805 0.551160857461} H30 60 1
1 {} {0.557797523357 0.78544881299 0.371844579399} H31 61 1
1 {} {0.668907609258 0.809937457243 0.341330245467} H32 62 1
1 {} {0.532515523522 0.446905720693 0.218338799217} H33 63 1
1 {} {0.609357607741 0.465065357609 0.169750485176} H34 64 1
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1 {} {0.656532975631 0.351719217074 0.412903578556} H37 67 1
1 {} {0.651121008368 0.27419897167 0.287261343468} H38 68 1
1 {} {0.701654496015 0.432540168366 0.294513001231} H39 69 1
1 {} {0.691212736877 0.394756139631 0.196817886111} H40 70 1
1 {} {0.502879233769 0.294573931658 0.185772562424} H41 71 1
1 {} {0.542590633106 0.235951210305 0.192648724865} H42 72 1
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